Chemical Properties of Ergosta-5,7-dien-3-ol, (3«beta»)- (CAS 516-79-0)

InChI

InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9-10,18-20,22,24-26,29H,7-8,11-17H2,1-6H3/t19-,20+,22-,24+,25-,26-,27-,28+/m1/s1

InChI Key

ZKQRGSXITBHHPC-YWSITSQTSA-N

Formula

C28H46O

SMILES

CC(C)C(C)CCC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC21C

Molecular Weight¹

398.66

CAS

516-79-0

Other Names

• Ergosta-5,7-dien-3«beta»-ol
• «delta»5,7-Ergostadienol
• Dihydroergosterol
• Provitamin D4
• 22,23-Dihydroergosterol
• «DELTA»5,7-Ergostadien-3«beta»-ol
• 24S-Methylcholesta-5,7-dien-3«beta»-ol
• 5,7-Ergostadienol
• 24-Methylcholesta-5,7-dien-3-«beta»-ol
• 5,7-Ergostadien-3«beta»-ol
• 22,23-dihydroergosterol, non-irradiated

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1353.59; 1560.97]	J/mol×K	[978.63; 1204.27]
Cp,gas	1353.59	J/mol×K	978.63	Joback Calculated Property
Cp,gas	1384.90	J/mol×K	1016.24	Joback Calculated Property
Cp,gas	1417.06	J/mol×K	1053.84	Joback Calculated Property
Cp,gas	1450.40	J/mol×K	1091.45	Joback Calculated Property
Cp,gas	1485.27	J/mol×K	1129.06	Joback Calculated Property
Cp,gas	1522.01	J/mol×K	1166.66	Joback Calculated Property
Cp,gas	1560.97	J/mol×K	1204.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ergosta-5,7-dien-3-ol, (3«beta»)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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